(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine

C12H24N2O — CID 176563534

IUPAC(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
SMILESCC(C)N1CCC2(CC[C@@H](N)CO2)CC1
InChIInChI=1S/C12H24N2O/c1-10(2)14-7-5-12(6-8-14)4-3-11(13)9-15-12/h10-11H,3-9,13H2,1-2H3/t11-/m1/s1
InChIKeyDAUMMMZNTMXDGO-LLVKDONJSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds1

About (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine

(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine (PubChem CID 176563534) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine.

Molecular Properties

Compound Name(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
PubChem CID176563534
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
SMILESCC(C)N1CCC2(CC[C@@H](N)CO2)CC1
InChIInChI=1S/C12H24N2O/c1-10(2)14-7-5-12(6-8-14)4-3-11(13)9-15-12/h10-11H,3-9,13H2,1-2H3/t11-/m1/s1
InChIKeyDAUMMMZNTMXDGO-LLVKDONJSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 140910769
10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702623
(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477423
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-4-ol
CID 165460008
3-(cyclopropylmethyl)-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 177091456
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701

Frequently Asked Questions

What is the IUPAC name of (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine?
The IUPAC name of (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine (CID 176563534) is (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine.
What is the SMILES notation for (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine?
The canonical SMILES for (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine is CC(C)N1CCC2(CC[C@@H](N)CO2)CC1.
What is the InChIKey of (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine?
The InChIKey is DAUMMMZNTMXDGO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)14-7-5-12(6-8-14)4-3-11(13)9-15-12/h10-11H,3-9,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine?
(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine is sourced from PubChem (CID 176563534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).